isoquinolin-4-yl-(3-methylphenyl)methanol

C17H15NO — CID 63938792

IUPACisoquinolin-4-yl-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cncc3ccccc23)c1
InChIInChI=1S/C17H15NO/c1-12-5-4-7-13(9-12)17(19)16-11-18-10-14-6-2-3-8-15(14)16/h2-11,17,19H,1H3
InChIKeyDVMWDSODGHHZEY-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.62
Rot. Bonds2

About isoquinolin-4-yl-(3-methylphenyl)methanol

isoquinolin-4-yl-(3-methylphenyl)methanol (PubChem CID 63938792) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is isoquinolin-4-yl-(3-methylphenyl)methanol.

Molecular Properties

Compound Nameisoquinolin-4-yl-(3-methylphenyl)methanol
PubChem CID63938792
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Nameisoquinolin-4-yl-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cncc3ccccc23)c1
InChIInChI=1S/C17H15NO/c1-12-5-4-7-13(9-12)17(19)16-11-18-10-14-6-2-3-8-15(14)16/h2-11,17,19H,1H3
InChIKeyDVMWDSODGHHZEY-UHFFFAOYSA-N
XLogP3.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol
CID 63940924
isoquinolin-4-yl(pyrimidin-5-yl)methanol
CID 104504669
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
CID 105097633
(3-bromo-5-fluorophenyl)-isoquinolin-4-ylmethanol
CID 66424231
(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol
CID 79970972
[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
CID 175901613
(2,3-difluorophenyl)-isoquinolin-4-ylmethanol
CID 63939378
2-(2-chloro-4-methylphenyl)-1-isoquinolin-4-ylethanol
CID 106866612
(3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707278

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(3-methylphenyl)methanol?
The IUPAC name of isoquinolin-4-yl-(3-methylphenyl)methanol (CID 63938792) is isoquinolin-4-yl-(3-methylphenyl)methanol.
What is the SMILES notation for isoquinolin-4-yl-(3-methylphenyl)methanol?
The canonical SMILES for isoquinolin-4-yl-(3-methylphenyl)methanol is Cc1cccc(C(O)c2cncc3ccccc23)c1.
What is the InChIKey of isoquinolin-4-yl-(3-methylphenyl)methanol?
The InChIKey is DVMWDSODGHHZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-12-5-4-7-13(9-12)17(19)16-11-18-10-14-6-2-3-8-15(14)16/h2-11,17,19H,1H3.
What are the key properties of isoquinolin-4-yl-(3-methylphenyl)methanol?
isoquinolin-4-yl-(3-methylphenyl)methanol has a molecular weight of 249.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-(3-methylphenyl)methanol is sourced from PubChem (CID 63938792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).